AG00D8BL

49721-45-1 | 4,5,6-Pyrimidinetriamine, sulfate

AG00D8BL

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CAS Number	49721-45-1
Catalog Number	AG00D8BL(AGN-PC-0JLHZ5)
Chemical Name	4,5,6-Pyrimidinetriamine, sulfate
IUPAC Name	pyrimidine-4,5,6-triamine;sulfuric acid
InChI	InChI=1S/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)
InChI Key	RKJICTKHLYLPLY-UHFFFAOYSA-N
MDL Number	MFCD00012789
Molecular Formula	C4H9N5O4S
Molecular Weight	223.2104
NSC Number	49184
SMILES	OS(O)(=O)=O.NC1=NC=NC(N)=C1N
Synonyms	4,5,6-pyrimidinetriamine, 4,5,6-triaminopyrimidine, 4,5,6-triaminopyrimidine sulfate, 4,5,6-triaminopyrimidine sulfate (1:1), 4,5,6-triaminopyrimidine sulfate (1:1), monohydrate, 4,5,6-triaminopyrimidine sulfate (2:1), 49721-45-1, 4,5,6-Triaminopyrimidine sulfate, Pyrimidine-4,5,6-triamine sulfate, 4,5,6-Pyrimidinetriamine, sulfate, Pyrimidine-4,5,6-triamine sulphate, pyrimidine-4,5,6-triamine; sulfuric acid, 4,5,6-Pyrimidinetriamine, sulfate (1:1), 4,5,6-Triaminopyrimidine sulphate, 68738-86-3, AK-76823, W-202878, EINECS 256-446-3, EINECS 272-116-1, NSC 49184, ACMC-20adn1, pyrimidine-4,5,6-triamine sulfate(1:1), AC1Q6XDP, Pyrimidine-4,5,6-triamine sulphate (1:1), AC1L39S4, SCHEMBL1966148, CTK2F6659, Pyrimidine-4,5,6-triaminesulfate, RKJICTKHLYLPLY-UHFFFAOYSA-N, NSC49184, ZX-AT009388, ANW-68603, NSC-49184, OR8231, AKOS015892586, GS-5770, HP21143, MCULE-5490811619, VP50003, ACM49721451, 4,5,6-Triaminopyrimidine sulfate, 98%, 4,6-Pyrimidinetriamine, sulfate (1:1), 4,5,6-Triaminopyrimidine sulfate, powder, DA-04277, SC-13825, AX8002337, DB-050759, LS-192615, TC-157348, 4CH-024194, FT-0639884, ST24049088, ST50826832, T0336, Z2786, 4,5,6-TRIAMINO PYRIMIDINE MONOSULFATE, A827827, I03-1610, C4H7N5.xH2O4S, C4H9N5O4S, T7126_SIGMA, C4H7N5.H2O4S, C4-H7-N5.H2-O4-S, C4-H7-N5.x-H2-O4-S, AR-1L2817, CID111544, MFCD00012789, 4,5,6-Pyrimidinetriamine, sulfate (1:?), 4,5,6-TRIAMINOPYRIMIDINESULFATE, 4,5,6-Triaminopyrimidine sulfate hydrate, 4,5,6-Triaminopyrimidine sulfate, 98% - 1G 1g, AC-907/34115032, 6640-23-9, 118-70-7, 207742-76-5, 705-35-1,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	223.207g/mol
Monoisotopic Mass	223.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	187A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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